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  • Title: A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 to identify new inhibitors of gp120-CD4 protein-protein interactions.
    Author: Caporuscio F, Tafi A, González E, Manetti F, Esté JA, Botta M.
    Journal: Bioorg Med Chem Lett; 2009 Nov 01; 19(21):6087-91. PubMed ID: 19783140.
    Abstract:
    A dynamic target-based pharmacophoric model mapping the CD4 binding site on HIV-1 gp120 was built and used to identify new hits able to inhibit gp120-CD4 protein-protein interactions. Two compounds showed micromolar inhibition of HIV-1 replication in cells attributable to an interference with the entry step of infection, by direct interaction with gp120. Inactivity of compounds toward a M475I strain suggested specific contacts with the Phe43 cavity of gp120.
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